methyl 2-[6,7-diethoxy-2-(3-methylbutylcarbamoyl)-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate

Systemtic Name: methyl 2-[6,7-diethoxy-2-(3-methylbutylcarbamoyl)-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate Openeye Name: methyl 2-[6,7-diethoxy-2-(isopentylcarbamoyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetate CAS Name: 2-[6,7-diethoxy-2-[(3-methylbutylamino)-oxomethyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6,7-diethoxy-2-(3-methylbutylcarbamoyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetate Traditional Name: 2-[6,7-diethoxy-2-(isoamylcarbamoyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid methyl ester Formula: C22H34N2O5 MolecularWeight: 406.51576

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(N(CCC2=C1)C(=O)NCCC(C)C)CC(=O)OC)OCC

Isomeric SMILES

CCOC1=C(C=C2C(N(CCC2=C1)C(=O)NCCC(C)C)CC(=O)OC)OCC

InChI

InChI=1S/C22H34N2O5/c1-6-28-19-12-16-9-11-24(22(26)23-10-8-15(3)4)18(14-21(25)27-5)17(16)13-20(19)29-7-2/h12-13,15,18H,6-11,14H2,1-5H3,(H,23,26)